Crystal Lattice Structures:	Creation Date:  9 Mar 2003
	Last Modified: 12 Dec 2011

The Bi₂Te₃ Structure (C33)

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• Removing either the Bi or the Te-II atoms reduces this structure to αSm (C19).
• Note that the stacking is ABCABC.... It is the change in atomic species and the spacings that distinguishes this structure from fcc (A1).
• Lattice coordinates are listed in rhombohedral form with hexagonal lattice constants. For details about the conversion, see the Ni₃S₂ (D5_e) page.

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• Prototype: Bi₂Te₃
• Pearson Symbol: hR5
• Strukturbericht Designation: C33
• Space Group: R3m (Cartesian and lattice coordinate listings available)
• Number: 166
• Other Compounds with this Structure: Be₂Te₂S, Sb₂Te₃, Bi₂Te₂Se, Bi₂Te₃, Bi₂Se₃
• Primitive Vectors:

  A1	=	½ a X - 12-½ a Y + 1/3 c Z
  A2	=	3-½ a Y + 1/3 c Z
  A3	=	- ½ a X - 12-½ a Y + 1/3 c Z

• Basis Vector:

  B1	=	0			(Te-I)	(1a)
  B2	=	+ z1 (A1 + A2 + A3)	=	+ z1 c Z	(Te-II)	(2c)
  B3	=	- z1 (A1 + A2 + A3)	=	- z1 c Z	(Te-II)	(2c)
  B4	=	+ z2 (A1 + A2 + A3)	=	+ z2 c Z	(Bi)	(2c)
  B5	=	- z2 (A1 + A2 + A3)	=	- z2 c Z	(Bi)	(2c)

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Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).